Localized molecular orbitals (LMOs) for several octahedral complexes are presented. Wavefunctions are calculated within the PRDDO approximations and localized by the Boys criterion. Complexes of general formula (NH3),(CO)6-,M, M = Cro or Mn' and x = 1, 2, or 3 illustrate the general trends for carbo
β¦ LIBER β¦
A semi-empirical molecular orbital study of complex stabilities of hexadentate polyaminocarboxylate ligands and transition metal ion complexes
β Scribed by A.M. Crouch; M. Polhuis
- Book ID
- 114140925
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 98 KB
- Volume
- 530
- Category
- Article
- ISSN
- 0166-1280
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